3-(2-chloroquinazolin-4-yl)oxybenzonitrile

C15H8ClN3O — CID 62477850

IUPAC3-(2-chloroquinazolin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C15H8ClN3O/c16-15-18-13-7-2-1-6-12(13)14(19-15)20-11-5-3-4-10(8-11)9-17/h1-8H
InChIKeyFUHSDBYIIJHNKX-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.95
Rot. Bonds2

About 3-(2-chloroquinazolin-4-yl)oxybenzonitrile

3-(2-chloroquinazolin-4-yl)oxybenzonitrile (PubChem CID 62477850) has the molecular formula C15H8ClN3O and a molecular weight of 281.70 g/mol. Its IUPAC name is 3-(2-chloroquinazolin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(2-chloroquinazolin-4-yl)oxybenzonitrile
PubChem CID62477850
Molecular FormulaC15H8ClN3O
Molecular Weight281.70 g/mol
Exact Mass281.04
IUPAC Name3-(2-chloroquinazolin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C15H8ClN3O/c16-15-18-13-7-2-1-6-12(13)14(19-15)20-11-5-3-4-10(8-11)9-17/h1-8H
InChIKeyFUHSDBYIIJHNKX-UHFFFAOYSA-N
XLogP3.95
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-2-chloro-6-methylpyrimidin-4-yl)oxybenzonitrile
CID 114044085
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-(2-chlorophenoxy)benzonitrile
CID 22148146
2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
CID 63505956
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile
CID 46831453
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
CID 23506220
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 102715183
4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
CID 107657835
(3-cyanophenyl) 2-methylquinoline-4-carboxylate
CID 18080090

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinazolin-4-yl)oxybenzonitrile?
The IUPAC name of 3-(2-chloroquinazolin-4-yl)oxybenzonitrile (CID 62477850) is 3-(2-chloroquinazolin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-(2-chloroquinazolin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-(2-chloroquinazolin-4-yl)oxybenzonitrile is N#Cc1cccc(Oc2nc(Cl)nc3ccccc23)c1.
What is the InChIKey of 3-(2-chloroquinazolin-4-yl)oxybenzonitrile?
The InChIKey is FUHSDBYIIJHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O/c16-15-18-13-7-2-1-6-12(13)14(19-15)20-11-5-3-4-10(8-11)9-17/h1-8H.
What are the key properties of 3-(2-chloroquinazolin-4-yl)oxybenzonitrile?
3-(2-chloroquinazolin-4-yl)oxybenzonitrile has a molecular weight of 281.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinazolin-4-yl)oxybenzonitrile is sourced from PubChem (CID 62477850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).